3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile

C24H26N6 — CID 135466530

IUPAC3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
SMILESCN1CCC(CNCc2cccc3[nH]c(-c4n[nH]c5cc(C#N)ccc45)cc23)CC1
InChIInChI=1S/C24H26N6/c1-30-9-7-16(8-10-30)14-26-15-18-3-2-4-21-20(18)12-23(27-21)24-19-6-5-17(13-25)11-22(19)28-29-24/h2-6,11-12,16,26-27H,7-10,14-15H2,1H3,(H,28,29)
InChIKeyKNKUITUADKEKDX-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.01
Rot. Bonds5

About 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile

3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile (PubChem CID 135466530) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
PubChem CID135466530
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
SMILESCN1CCC(CNCc2cccc3[nH]c(-c4n[nH]c5cc(C#N)ccc45)cc23)CC1
InChIInChI=1S/C24H26N6/c1-30-9-7-16(8-10-30)14-26-15-18-3-2-4-21-20(18)12-23(27-21)24-19-6-5-17(13-25)11-22(19)28-29-24/h2-6,11-12,16,26-27H,7-10,14-15H2,1H3,(H,28,29)
InChIKeyKNKUITUADKEKDX-UHFFFAOYSA-N
XLogP4.01
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile with MolForge

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Related Compounds

3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135491719
3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135489341
3-[4-[(piperidin-4-ylmethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
CID 141148176
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
3-[4-[(3-aminopropylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
CID 141148167
4-fluoro-3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]benzonitrile
CID 60855431
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135468045
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
CID 135820452
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 112606713
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 79889978
N-[(4-bromo-2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115653420
N-[(5-bromo-2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 103792951

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The IUPAC name of 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile (CID 135466530) is 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile.
What is the SMILES notation for 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The canonical SMILES for 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile is CN1CCC(CNCc2cccc3[nH]c(-c4n[nH]c5cc(C#N)ccc45)cc23)CC1.
What is the InChIKey of 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The InChIKey is KNKUITUADKEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-30-9-7-16(8-10-30)14-26-15-18-3-2-4-21-20(18)12-23(27-21)24-19-6-5-17(13-25)11-22(19)28-29-24/h2-6,11-12,16,26-27H,7-10,14-15H2,1H3,(H,28,29).
What are the key properties of 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile has a molecular weight of 398.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile is sourced from PubChem (CID 135466530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).